(6aR,12aS)-6-propyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine

C18H22N4 — CID 10085831

IUPAC(6aR,12aS)-6-propyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine
SMILESCCCN1Cc2ccccc2[C@@H]2Cc3nc(N)ncc3C[C@H]21
InChIInChI=1S/C18H22N4/c1-2-7-22-11-12-5-3-4-6-14(12)15-9-16-13(8-17(15)22)10-20-18(19)21-16/h3-6,10,15,17H,2,7-9,11H2,1H3,(H2,19,20,21)/t15-,17+/m0/s1
InChIKeyJPOIIIWKNMUXLB-DOTOQJQBSA-N
MW294.40 g/mol
LogP2.54
Rot. Bonds2

About (6aR,12aS)-6-propyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine

(6aR,12aS)-6-propyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine (PubChem CID 10085831) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is (6aR,12aS)-6-propyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine.

Molecular Properties

Compound Name(6aR,12aS)-6-propyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine
PubChem CID10085831
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name(6aR,12aS)-6-propyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine
SMILESCCCN1Cc2ccccc2[C@@H]2Cc3nc(N)ncc3C[C@H]21
InChIInChI=1S/C18H22N4/c1-2-7-22-11-12-5-3-4-6-14(12)15-9-16-13(8-17(15)22)10-20-18(19)21-16/h3-6,10,15,17H,2,7-9,11H2,1H3,(H2,19,20,21)/t15-,17+/m0/s1
InChIKeyJPOIIIWKNMUXLB-DOTOQJQBSA-N
XLogP2.54
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6aR,12aS)-6-propyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6aR,12aS)-6-propyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine?
The IUPAC name of (6aR,12aS)-6-propyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine (CID 10085831) is (6aR,12aS)-6-propyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine.
What is the SMILES notation for (6aR,12aS)-6-propyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine?
The canonical SMILES for (6aR,12aS)-6-propyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine is CCCN1Cc2ccccc2[C@@H]2Cc3nc(N)ncc3C[C@H]21.
What is the InChIKey of (6aR,12aS)-6-propyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine?
The InChIKey is JPOIIIWKNMUXLB-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H22N4/c1-2-7-22-11-12-5-3-4-6-14(12)15-9-16-13(8-17(15)22)10-20-18(19)21-16/h3-6,10,15,17H,2,7-9,11H2,1H3,(H2,19,20,21)/t15-,17+/m0/s1.
What are the key properties of (6aR,12aS)-6-propyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine?
(6aR,12aS)-6-propyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine has a molecular weight of 294.40 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,12aS)-6-propyl-6a,7,12,12a-tetrahydro-5H-pyrimido[4,5-b]phenanthridin-10-amine is sourced from PubChem (CID 10085831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).